2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid

C14H16F3NO2 — CID 79266645

IUPAC2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCc2ccccc2C1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)9-18(8-13(19)20)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,12H,5-9H2,(H,19,20)
InChIKeyYLQAZOLOUNARLG-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.49
Rot. Bonds4

About 2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid

2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266645) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266645
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCc2ccccc2C1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)9-18(8-13(19)20)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,12H,5-9H2,(H,19,20)
InChIKeyYLQAZOLOUNARLG-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266645) is 2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C1CCc2ccccc2C1.
What is the InChIKey of 2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is YLQAZOLOUNARLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)9-18(8-13(19)20)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,12H,5-9H2,(H,19,20).
What are the key properties of 2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,3,4-tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).